Sc2Cd2Hg7
Alexandria ALEXAlex-ID: agm003320249 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_304_spg44
ScCdHg2 Hg
2022-01-22 13:08:35.320470
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003320249).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm003320249
data_agm003320249
_cell_length_a 3.40324
_cell_length_b 10.22200
_cell_length_c 10.22200
_cell_angle_alpha 49.69864
_cell_angle_beta 80.41758
_cell_angle_gamma 80.41758
_cell_volume 266.59815
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc1 Sc 0.74721 0.85687 0.64870 1.00000
Sc2 Sc 0.25279 0.35130 0.14313 1.00000
Cd1 Cd 0.00000 0.71633 0.28367 1.00000
Cd2 Cd 0.50000 0.35733 0.64267 1.00000
Hg1 Hg 0.84489 0.05407 0.25616 1.00000
Hg2 Hg 0.85478 0.42958 0.86086 1.00000
Hg3 Hg 0.50000 0.01883 0.98117 1.00000
Hg4 Hg 0.62245 0.47085 0.28425 1.00000
Hg5 Hg 0.37755 0.71575 0.52915 1.00000
Hg6 Hg 0.15511 0.74384 0.94593 1.00000
Hg7 Hg 0.14522 0.13914 0.57042 1.00000
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